4-methoxy-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 3-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]sulfamoyl]-4-methoxy-benzoic acid Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C20H20N4O7S/c1-3-10-24-19(26)14-7-5-4-6-13(14)17(22-24)18(25)21-23-32(29,30)16-11-12(20(27)28)8-9-15(16)31-2/h4-9,11,23H,3,10H2,1-2H3,(H,21,25)(H,27,28)